SCHEMBL3974372

SCHEMBL3974372

COC(=O)c1ccccc1-c1ccc(CNc2c(C(=O)OC)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.48
SLC6A3 Q01959 4/20 0.48
SLC6A4 P31645 3/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SLC6A2 P23975 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7009871 0.94 HPGD (0.44) BDKRB1SLC6A3SLC6A4HPGDSMN1; SMN2
SCHEMBL31722799 0.89 BDKRB1 (0.47) BDKRB1HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2598198 0.89 BDKRB1 (0.47) BDKRB1HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1271609 0.85 MAPT (0.54) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3180920 0.85 HPGD (0.47) SLC6A3HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6756374 0.83 BDKRB1 (0.65) BDKRB1SLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL9196004 0.83 BDKRB1 (0.42) BDKRB1HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL20541747 0.82 HPGD (0.45) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL6850002 0.82 ALDH1A1 (0.40) BDKRB1HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3974805 0.82 HPGD (0.37) BDKRB1HPGDSMN1; SMN2ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538133-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-26 US disclosed
US-20070259932-A1 angiotensin II antagonists; Hypotensive agents; cardiovascular disorders; reacting Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-mercaptobenzimidazole-7-carboxylic acid compound with alkylating agent TAKEDA PHARMACEUTICAL COMPANY, LIMITED 2007-11-08 US disclosed
US-7153972-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2006-12-26 US disclosed
US-20050131039-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-06-16 US disclosed
US-6844443-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2005-01-18 US disclosed
US-20040044223-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2004-03-04 US disclosed
US-6608210-B2 Such as 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-((2'-(1H-tetrazol-t-yl)biphenyl-4-yl)methyl) benzimidazol-7-carboxylate; exhibits antihypertensive activity and strong angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-19 US disclosed
EP-0720982-B1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-20020151723-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-10-17 US disclosed
US-6355808-B2 ANGAGONIZING ANGIOTENSIN II TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-12 US disclosed
US-20010047020-A1 Benzimidazole derivatives, their production and use TAKEDA PHARAMCEUTICAL COMPANY, LIMITED (JP) 2001-11-29 US disclosed
US-6232334-B1 HAVE POTENT ANGIOTENSIN II ANTAGONISTIC ACTIVITY AND ANTIHYPERTENSIVE ACTIVITY, FOR TREATING CIRCULATORY SYSTEM DISEASES SUCH AS HYPERTENSIVE DISEASES, HEART DISEASES, STROKES, CEREBRAL APOPLEXY AND NEPHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-15 US disclosed
US-6004989-A ETHYL 2-ETHOXY-1-(2'-1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL) BENZIMIDAZOLE-7-CARBOXYLATE AND SALTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-21 US disclosed
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed
EP-0720982-A1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-10 EP disclosed
EP-0459136-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-12-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070259932-A1 angiotensin II antagonists; Hypotensive agents; cardiovascular disorders; reacting Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-mercaptobenzimidazole-7-carboxylic acid compound with alkylating agent AGTR1, REN, AGTR2 BDKRB1 404/4885SLC6A3 2488/4885SLC6A4 2693/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 BDKRB1 1089/4885SLC6A3 4165/4885SLC6A4 2764/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 BDKRB1 1666/4885SLC6A3 4217/4885SLC6A4 2518/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 BDKRB1 1539/4885SLC6A3 3927/4885SLC6A4 2100/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 BDKRB1 280/4885SLC6A3 4031/4885SLC6A4 3566/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.